5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one

C25H24N6O2 — CID 153260150

IUPAC5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cn4ccnc4c(Nc4ccc(N5CC(C)(O)C5)cc4)n3)ccc21
InChIInChI=1S/C25H24N6O2/c1-25(33)14-31(15-25)19-6-4-18(5-7-19)27-23-24-26-9-10-30(24)13-20(28-23)16-3-8-21-17(11-16)12-22(32)29(21)2/h3-11,13,33H,12,14-15H2,1-2H3,(H,27,28)
InChIKeyWVBJCMMSNVYEQE-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.23
Rot. Bonds4

About 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one

5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one (PubChem CID 153260150) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one
PubChem CID153260150
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3cn4ccnc4c(Nc4ccc(N5CC(C)(O)C5)cc4)n3)ccc21
InChIInChI=1S/C25H24N6O2/c1-25(33)14-31(15-25)19-6-4-18(5-7-19)27-23-24-26-9-10-30(24)13-20(28-23)16-3-8-21-17(11-16)12-22(32)29(21)2/h3-11,13,33H,12,14-15H2,1-2H3,(H,27,28)
InChIKeyWVBJCMMSNVYEQE-UHFFFAOYSA-N
XLogP3.23
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3H-indol-2-one
CID 149389474
1-[4-[[6-(1,3-benzothiazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 59473346
6-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-indol-2-one
CID 59473614
1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 147069990
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 59473240
(3R)-1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylpyrrolidin-3-ol
CID 59473243
3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-benzimidazol-2-one
CID 59473289
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073
6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
CID 153207771
6-[8-[4-[ethyl(2-hydroxyethyl)amino]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,3-dimethyl-1H-inden-2-one
CID 147107388
(3E)-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3-(1,3-thiazol-4-ylmethylidene)-1H-inden-2-one
CID 153030530

Frequently Asked Questions

What is the IUPAC name of 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one (CID 153260150) is 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3cn4ccnc4c(Nc4ccc(N5CC(C)(O)C5)cc4)n3)ccc21.
What is the InChIKey of 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one?
The InChIKey is WVBJCMMSNVYEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-25(33)14-31(15-25)19-6-4-18(5-7-19)27-23-24-26-9-10-30(24)13-20(28-23)16-3-8-21-17(11-16)12-22(32)29(21)2/h3-11,13,33H,12,14-15H2,1-2H3,(H,27,28).
What are the key properties of 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one?
5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one has a molecular weight of 440.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 153260150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).